In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2005 | 6 | Yes |
Popular Name: L-Alanine L-Alanine
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 19470-97-4 , 1948-31-8 , 302-72-7 , 338-69-2 , 56-41-7 , 77160-91-9 , [302-72-7] , [56-41-7]
(2S)-2-aminopropanoate; L-alanine anion
(2S)-2-ammoniopropanoate; L-alanine
2,3,3,3-tetradeuterioL-alanine; L-alanine-d4
2-Aminopropanoic acid; 2-Aminopropionic acid; 302-72-7; Alanine; C01401
56-41-7; Alanine (USP); D00012; L-Alanine (JP16)
56-41-7; L-alanine; L-alpha-alanine; ala; alanine
Alanine-1-13C; CCRIS 6559; DL-Alanine; DL-Alanine-1-13C; LS-188918
CHEBI:2539; CHEBI:13748; CHEBI:22277
D-Alanine [338-69-2]; (H-D-ALA-OH)
F4F207FF-8FF8-4789-99A1-147AE0A36673
InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6
L-Alanine, 99%, specified according to the requirements of Ph.Eur.
L-Alanine, labeled with carbon-14
L-Alanine, labeled with tritium
L-Alanine, N-coco alkyl derivs.
L-Alanine-N,N,O-D3, 99.99% (Isotopic)
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -2.69 | 0.21 | -39.21 | 3 | 3 | 0 | 68 | 89.094 | 1 | ↓ |
Hi High (pH 8-9.5) | -2.69 | -0.11 | -43.06 | 2 | 3 | -1 | 66 | 88.086 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
UniProt Database Links | 017L_FRG3G; 019R_FRG3G; 027R_FRG3G; 032R_FRG3G; 057R_FRG3G; 2AAA_CAEEL; 2ABB_RAT; 41_DROME; 5HT2A_DROME; 7LESS_DROME; AAAT_MOUSE; AACL1_BRADU; AACL2_BRADU; AACL_AGRT5; AACP_AGRT5; AAH_ARATH; AAH_ORYSJ; AAK1_BOVIN; AAK1_HUMAN; AAK1_MOUSE; AAK1_PIG; AAK1_RA | ChEBI |
MP | 289 - 291 | Enamine Building Blocks |
MP | 289...291 | Enamine Building Blocks |
MP | 291 °C (dec.)(lit.) | Indofine |
Mp [°C] | 314 - 316 | Acros Organics |
MP | 314-315° | Oakwood Chemical |
MP | 314-316°(dec) | Matrix Scientific |
MP | 314.5 °C (dec.)(lit.) | Indofine |
Melting_Point | 314? dec. | Alfa-Aesar |
ALOGPS_SOLUBILITY | 4.47e+02 g/l | DrugBank-experimental |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 98% | Fluorochem |
UniProt Database Links | AAAT_MOUSE; AACL1_BRADU; AACL2_BRADU; AACL_AGRT5; AACP_AGRT5; ACRC_CLOPR; AEPE_BPA18; AEPE_BPA50; AGT21_ARATH; AGT22_ARATH; AGT23_ARATH; AGT2_BOVIN; AGT2_HUMAN; AGT2_MOUSE; AGT2_PONAB; AGT2_RAT; AGX1_YEAST; ALA2_HORVU; ALA2_PANMI; ALAA_ECOL6; ALAA_ECOLI | ChEBI |
Melting_Point | ca 292? dec. | Alfa-Aesar |
Melting_Point | ca 292° dec. | Alfa-Aesar |
Melting_Point | ca 295? dec. | Alfa-Aesar |
Melting_Point | ca 295° dec. | Alfa-Aesar |
Patent Database Links | EP0806203; EP0806411; EP0811599; EP0811600; EP0898963; EP0922699; EP0933365; EP0955046; EP1113008; EP1123929; EP1132380; EP1156032; EP1219634; EP1319975; EP1336604; EP1338588; EP1348759; EP1364941; EP1369134; EP1378506; EP1422218; EP1496060; EP1506972; EP | ChEBI |
SOLUBILITY | H2O: 100 mg/mL | Indofine |
Warnings | IRRITANT | Matrix Scientific |
Warnings | Irritant/Stored under Argon | Matrix Scientific |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
Patent Database Links | US2004214890; US2008161325 | ChEBI |
Notes | USP, pyrogen free | Apollo Scientific Bioactives |
Purity | USP24 | APIChem |
PUBCHEM_PATENT_ID | WO1994021816A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.